TL;DR: 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide (CAS 1023488-73-4) is a chemical compound with molecular formula C22H15Cl2N3O2S and molecular weight 455.0262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide
Also Known As: 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(pyridin-2-ylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide, (3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-(2-PYRIDYLTHIO)PHENYL)FORMAMIDE, [3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-N-(4-(2-pyridylthio)phenyl)carb oxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(2-pyridylsulfanyl)phenyl]isoxazole-4-carboxamide
| Molecular Formula | C22H15Cl2N3O2S |
| Molecular Weight | 455.0262 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.0262 Da |
| Heavy Atoms | 30 |
| Complexity | 569.0 |
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC=C(C=C3)SC4=CC=CC=N4 |
| InChIKey | OUSQVWZCFGMROA-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide is 1023488-73-4.
The molecular formula of 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide is C22H15Cl2N3O2S.
The molecular weight of 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-2-ylsulfanylphenyl)-1,2-oxazole-4-carboxamide is 455.0262 g/mol.
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